2FBW

Avian respiratory complex II with carboxin bound

PDB DOI: https://doi.org/10.2210/pdb2FBW/pdb

Classification: OXIDOREDUCTASE
Organism(s): Gallus gallus
Mutation(s): No
Membrane Protein: Yes PDBTMMemProtMDmpstruc

Deposited: 2005-12-10 Released: 2005-12-20
Deposition Author(s): Huang, L.S., Sun, G., Cobessi, D., Wang, A.C., Shen, J.T., Tung, E.Y., Anderson, V.E., Berry, E.A.
Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.06 Å
R-Value Free: 0.215
R-Value Work: 0.171
R-Value Observed: 0.173

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.1 of the entry. See complete history.

Re-refinement Note

A newer entry is available that reflects an alternative modeling of the original data: 2WQY

Macromolecule Content

Total Structure Weight: 253.55 kDa
Atom Count: 19,292
Modelled Residue Count: 2,185
Deposited Residue Count: 2,232
Unique protein chains: 4

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	A, E [auth N]	621	Gallus gallus	Mutation(s): 0 EC: 1.3.5.1 Membrane Entity: Yes
UniProt
Find proteins for Q9YHT1 (Gallus gallus) Explore Q9YHT1 Go to UniProtKB: Q9YHT1
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9YHT1
Sequence Annotations Expand
Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	B, F [auth O]	252	Gallus gallus	Mutation(s): 0 EC: 1.3.5.1 Membrane Entity: Yes
UniProt
Find proteins for Q9YHT2 (Gallus gallus) Explore Q9YHT2 Go to UniProtKB: Q9YHT2
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9YHT2
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
Succinate dehydrogenase cytochrome b560 subunit, mitochondrial	C, G [auth P]	140	Gallus gallus	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for D0VWW3 (Gallus gallus) Explore D0VWW3 Go to UniProtKB: D0VWW3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VWW3
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 4
Molecule	Chains	Sequence Length	Organism	Details	Image
Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial	D, H [auth Q]	103	Gallus gallus	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for Q5ZIS0 (Gallus gallus) Explore Q5ZIS0 Go to UniProtKB: Q5ZIS0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5ZIS0
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 14 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FAD (Subject of Investigation/LOI) Query on FAD Download Ideal Coordinates CCD File SDF format, chain EF [auth N] SDF format, chain I [auth A] MOL2 format, chain EF [auth N] MOL2 format, chain I [auth A]	EF [auth N], I [auth A]	FLAVIN-ADENINE DINUCLEOTIDE C₂₇ H₃₃ N₉ O₁₅ P₂ VWWQXMAJTJZDQX-UYBVJOGSSA-N		Interactions Focus chain EF [auth N] Focus chain I [auth A] Interactions & Density Focus chain EF [auth N] Focus chain I [auth A]
HEM Query on HEM Download Ideal Coordinates CCD File SDF format, chain IJ [auth P] SDF format, chain XD [auth C] MOL2 format, chain IJ [auth P] MOL2 format, chain XD [auth C]	IJ [auth P], XD [auth C]	PROTOPORPHYRIN IX CONTAINING FE C₃₄ H₃₂ Fe N₄ O₄ KABFMIBPWCXCRK-RGGAHWMASA-L		Interactions Focus chain IJ [auth P] Focus chain XD [auth C] Interactions & Density Focus chain IJ [auth P] Focus chain XD [auth C]
UMQ Query on UMQ Download Ideal Coordinates CCD File SDF format, chain KJ [auth P] MOL2 format, chain KJ [auth P]	KJ [auth P]	UNDECYL-MALTOSIDE C₂₃ H₄₄ O₁₁ UYEMNFYVTFDKRG-ZNGNCRBCSA-N		Interactions Focus chain KJ [auth P] Interactions & Density Focus chain KJ [auth P]
SF4 Query on SF4 Download Ideal Coordinates CCD File SDF format, chain WH [auth O] SDF format, chain BC [auth B] MOL2 format, chain WH [auth O] MOL2 format, chain BC [auth B]	BC [auth B], WH [auth O]	IRON/SULFUR CLUSTER Fe₄ S₄ LJBDFODJNLIPKO-UHFFFAOYSA-N		Interactions Focus chain BC [auth B] Focus chain WH [auth O] Interactions & Density Focus chain BC [auth B] Focus chain WH [auth O]
F3S (Subject of Investigation/LOI) Query on F3S Download Ideal Coordinates CCD File SDF format, chain CC [auth B] SDF format, chain XH [auth O] MOL2 format, chain CC [auth B] MOL2 format, chain XH [auth O]	CC [auth B], XH [auth O]	FE3-S4 CLUSTER Fe₃ S₄ FCXHZBQOKRZXKS-UHFFFAOYSA-N		Interactions Focus chain CC [auth B] Focus chain XH [auth O] Interactions & Density Focus chain CC [auth B] Focus chain XH [auth O]
BOG Query on BOG Download Ideal Coordinates CCD File SDF format, chain TE [auth D] SDF format, chain ZD [auth C] SDF format, chain LJ [auth P] MOL2 format, chain TE [auth D] MOL2 format, chain ZD [auth C] MOL2 format, chain LJ [auth P]	LJ [auth P], TE [auth D], ZD [auth C]	octyl beta-D-glucopyranoside C₁₄ H₂₈ O₆ HEGSGKPQLMEBJL-RKQHYHRCSA-N		Interactions Focus chain LJ [auth P] Focus chain TE [auth D] Focus chain ZD [auth C] Interactions & Density Focus chain LJ [auth P] Focus chain TE [auth D] Focus chain ZD [auth C]
CBE (Subject of Investigation/LOI) Query on CBE Download Ideal Coordinates CCD File SDF format, chain JJ [auth P] SDF format, chain YD [auth C] MOL2 format, chain JJ [auth P] MOL2 format, chain YD [auth C]	JJ [auth P], YD [auth C]	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE C₁₂ H₁₃ N O₂ S GYSSRZJIHXQEHQ-UHFFFAOYSA-N		Interactions Focus chain JJ [auth P] Focus chain YD [auth C] Interactions & Density Focus chain JJ [auth P] Focus chain YD [auth C]
FES Query on FES Download Ideal Coordinates CCD File SDF format, chain AC [auth B] SDF format, chain VH [auth O] MOL2 format, chain AC [auth B] MOL2 format, chain VH [auth O]	AC [auth B], VH [auth O]	FE2/S2 (INORGANIC) CLUSTER Fe₂ S₂ NIXDOXVAJZFRNF-UHFFFAOYSA-N		Interactions Focus chain AC [auth B] Focus chain VH [auth O] Interactions & Density Focus chain AC [auth B] Focus chain VH [auth O]
Y3P (Subject of Investigation/LOI) Query on Y3P Download Ideal Coordinates CCD File SDF format, chain FF [auth N] SDF format, chain J [auth A] MOL2 format, chain FF [auth N] MOL2 format, chain J [auth A]	FF [auth N], J [auth A]	(~{Z})-2-oxidanylbut-2-enedioic acid C₄ H₄ O₅ UWYVPFMHMJIBHE-UPHRSURJSA-N		Interactions Focus chain FF [auth N] Focus chain J [auth A] Interactions & Density Focus chain FF [auth N] Focus chain J [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain FC [auth B] SDF format, chain IF [auth N] MOL2 format, chain FC [auth B] MOL2 format, chain IF [auth N]	FC [auth B], IF [auth N]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain FC [auth B] Focus chain IF [auth N] Interactions & Density Focus chain FC [auth B] Focus chain IF [auth N]
AZI Query on AZI Download Ideal Coordinates CCD File SDF format, chain L [auth A] SDF format, chain EC [auth B] SDF format, chain HF [auth N] MOL2 format, chain L [auth A] MOL2 format, chain EC [auth B] MOL2 format, chain HF [auth N]	EC [auth B], HF [auth N], L [auth A]	AZIDE ION N₃ IVRMZWNICZWHMI-UHFFFAOYSA-N		Interactions Focus chain EC [auth B] Focus chain HF [auth N] Focus chain L [auth A] Interactions & Density Focus chain EC [auth B] Focus chain HF [auth N] Focus chain L [auth A]
K Query on K Download Ideal Coordinates CCD File SDF format, chain GF [auth N] SDF format, chain K [auth A] MOL2 format, chain GF [auth N] MOL2 format, chain K [auth A]	GF [auth N], K [auth A]	POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N		Interactions Focus chain GF [auth N] Focus chain K [auth A] Interactions & Density Focus chain GF [auth N] Focus chain K [auth A]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain DC [auth B] MOL2 format, chain DC [auth B]	DC [auth B]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain DC [auth B] Interactions & Density Focus chain DC [auth B]
UNL Query on UNL Download Ideal Coordinates CCD File	AA [auth A] AB [auth A] AD [auth B] AE [auth C] AF [auth D] AA [auth A], AB [auth A], AD [auth B], AE [auth C], AF [auth D], AG [auth N], AH [auth N], AI [auth O], AJ [auth O], AK [auth Q], BA [auth A], BB [auth A], BD [auth B], BE [auth C], BF [auth D], BG [auth N], BH [auth N], BI [auth O], BJ [auth O], BK [auth Q], CA [auth A], CB [auth A], CD [auth B], CE [auth C], CF [auth D], CG [auth N], CH [auth N], CI [auth O], CJ [auth O], CK [auth Q], DA [auth A], DB [auth A], DD [auth B], DE [auth C], DF [auth D], DG [auth N], DH [auth N], DI [auth O], DJ [auth O], DK [auth Q], EA [auth A], EB [auth A], ED [auth B], EE [auth C], EG [auth N], EH [auth N], EI [auth O], EJ [auth O], FA [auth A], FB [auth A], FD [auth B], FE [auth C], FG [auth N], FH [auth N], FI [auth O], FJ [auth O], GA [auth A], GB [auth A], GC [auth B], GD [auth B], GE [auth C], GG [auth N], GH [auth N], GI [auth O], GJ [auth O], HA [auth A], HB [auth A], HC [auth B], HD [auth B], HE [auth C], HG [auth N], HH [auth N], HI [auth O], HJ [auth O], IA [auth A], IB [auth A], IC [auth B], ID [auth B], IE [auth C], IG [auth N], IH [auth N], II [auth O], JA [auth A], JB [auth A], JC [auth B], JD [auth B], JE [auth C], JF [auth N], JG [auth N], JH [auth N], JI [auth O], KA [auth A], KB [auth A], KC [auth B], KD [auth B], KE [auth C], KF [auth N], KG [auth N], KH [auth N], KI [auth O], LA [auth A], LB [auth A], LC [auth B], LD [auth B], LE [auth C], LF [auth N], LG [auth N], LH [auth N], LI [auth O], M [auth A], MA [auth A], MB [auth A], MC [auth B], MD [auth B], ME [auth C], MF [auth N], MG [auth N], MH [auth N], MI [auth O], MJ [auth P], N [auth A], NA [auth A], NB [auth A], NC [auth B], ND [auth B], NE [auth C], NF [auth N], NG [auth N], NH [auth N], NI [auth O], NJ [auth P], O [auth A], OA [auth A], OB [auth A], OC [auth B], OD [auth B], OE [auth C], OF [auth N], OG [auth N], OH [auth N], OI [auth O], OJ [auth P], P [auth A], PA [auth A], PB [auth A], PC [auth B], PD [auth B], PE [auth C], PF [auth N], PG [auth N], PH [auth N], PI [auth O], PJ [auth P], Q [auth A], QA [auth A], QB [auth A], QC [auth B], QD [auth B], QE [auth C], QF [auth N], QG [auth N], QH [auth N], QI [auth O], QJ [auth P], R [auth A], RA [auth A], RB [auth A], RC [auth B], RD [auth B], RE [auth C], RF [auth N], RG [auth N], RH [auth N], RI [auth O], RJ [auth P], S [auth A], SA [auth A], SB [auth A], SC [auth B], SD [auth B], SE [auth C], SF [auth N], SG [auth N], SH [auth N], SI [auth O], SJ [auth P], T [auth A], TA [auth A], TB [auth A], TC [auth B], TD [auth B], TF [auth N], TG [auth N], TH [auth N], TI [auth O], TJ [auth P], U [auth A], UA [auth A], UB [auth A], UC [auth B], UD [auth B], UE [auth D], UF [auth N], UG [auth N], UH [auth N], UI [auth O], UJ [auth P], V [auth A], VA [auth A], VB [auth A], VC [auth B], VD [auth B], VE [auth D], VF [auth N], VG [auth N], VI [auth O], VJ [auth Q], W [auth A], WA [auth A], WB [auth A], WC [auth B], WD [auth B], WE [auth D], WF [auth N], WG [auth N], WI [auth O], WJ [auth Q], X [auth A], XA [auth A], XB [auth A], XC [auth B], XE [auth D], XF [auth N], XG [auth N], XI [auth O], XJ [auth Q], Y [auth A], YA [auth A], YB [auth A], YC [auth B], YE [auth D], YF [auth N], YG [auth N], YH [auth O], YI [auth O], YJ [auth Q], Z [auth A], ZA [auth A], ZB [auth A], ZC [auth B], ZE [auth D], ZF [auth N], ZG [auth N], ZH [auth O], ZI [auth O], ZJ [auth Q]	Unknown ligand FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain AA [auth A] Focus chain AB [auth A] Focus chain AD [auth B] Focus chain AE [auth C] Focus chain AF [auth D] Focus chain AG [auth N] Focus chain AH [auth N] Focus chain AI [auth O] Focus chain AJ [auth O] Focus chain AK [auth Q] Focus chain BA [auth A] Focus chain BB [auth A] Focus chain BD [auth B] Focus chain BE [auth C] Focus chain BF [auth D] Focus chain BG [auth N] Focus chain BH [auth N] Focus chain BI [auth O] Focus chain BJ [auth O] Focus chain BK [auth Q] Focus chain CA [auth A] Focus chain CB [auth A] Focus chain CD [auth B] Focus chain CE [auth C] Focus chain CF [auth D] Focus chain CG [auth N] Focus chain CH [auth N] Focus chain CI [auth O] Focus chain CJ [auth O] Focus chain CK [auth Q] Focus chain DA [auth A] Focus chain DB [auth A] Focus chain DD [auth B] Focus chain DE [auth C] Focus chain DF [auth D] Focus chain DG [auth N] Focus chain DH [auth N] Focus chain DI [auth O] Focus chain DJ [auth O] Focus chain DK [auth Q] Focus chain EA [auth A] Focus chain EB [auth A] Focus chain ED [auth B] Focus chain EE [auth C] Focus chain EG [auth N] Focus chain EH [auth N] Focus chain EI [auth O] Focus chain EJ [auth O] Focus chain FA [auth A] Focus chain FB [auth A] Focus chain FD [auth B] Focus chain FE [auth C] Focus chain FG [auth N] Focus chain FH [auth N] Focus chain FI [auth O] Focus chain FJ [auth O] Focus chain GA [auth A] Focus chain GB [auth A] Focus chain GC [auth B] Focus chain GD [auth B] Focus chain GE [auth C] Focus chain GG [auth N] Focus chain GH [auth N] Focus chain GI [auth O] Focus chain GJ [auth O] Focus chain HA [auth A] Focus chain HB [auth A] Focus chain HC [auth B] Focus chain HD [auth B] Focus chain HE [auth C] Focus chain HG [auth N] Focus chain HH [auth N] Focus chain HI [auth O] Focus chain HJ [auth O] Focus chain IA [auth A] Focus chain IB [auth A] Focus chain IC [auth B] Focus chain ID [auth B] Focus chain IE [auth C] Focus chain IG [auth N] Focus chain IH [auth N] Focus chain II [auth O] Focus chain JA [auth A] Focus chain JB [auth A] Focus chain JC [auth B] Focus chain JD [auth B] Focus chain JE [auth C] Focus chain JF [auth N] Focus chain JG [auth N] Focus chain JH [auth N] Focus chain JI [auth O] Focus chain KA [auth A] Focus chain KB [auth A] Focus chain KC [auth B] Focus chain KD [auth B] Focus chain KE [auth C] Focus chain KF [auth N] Focus chain KG [auth N] Focus chain KH [auth N] Focus chain KI [auth O] Focus chain LA [auth A] Focus chain LB [auth A] Focus chain LC [auth B] Focus chain LD [auth B] Focus chain LE [auth C] Focus chain LF [auth N] Focus chain LG [auth N] Focus chain LH [auth N] Focus chain LI [auth O] Focus chain M [auth A] Focus chain MA [auth A] Focus chain MB [auth A] Focus chain MC [auth B] Focus chain MD [auth B] Focus chain ME [auth C] Focus chain MF [auth N] Focus chain MG [auth N] Focus chain MH [auth N] Focus chain MI [auth O] Focus chain MJ [auth P] Focus chain N [auth A] Focus chain NA [auth A] Focus chain NB [auth A] Focus chain NC [auth B] Focus chain ND [auth B] Focus chain NE [auth C] Focus chain NF [auth N] Focus chain NG [auth N] Focus chain NH [auth N] Focus chain NI [auth O] Focus chain NJ [auth P] Focus chain O [auth A] Focus chain OA [auth A] Focus chain OB [auth A] Focus chain OC [auth B] Focus chain OD [auth B] Focus chain OE [auth C] Focus chain OF [auth N] Focus chain OG [auth N] Focus chain OH [auth N] Focus chain OI [auth O] Focus chain OJ [auth P] Focus chain P [auth A] Focus chain PA [auth A] Focus chain PB [auth A] Focus chain PC [auth B] Focus chain PD [auth B] Focus chain PE [auth C] Focus chain PF [auth N] Focus chain PG [auth N] Focus chain PH [auth N] Focus chain PI [auth O] Focus chain PJ [auth P] Focus chain Q [auth A] Focus chain QA [auth A] Focus chain QB [auth A] Focus chain QC [auth B] Focus chain QD [auth B] Focus chain QE [auth C] Focus chain QF [auth N] Focus chain QG [auth N] Focus chain QH [auth N] Focus chain QI [auth O] Focus chain QJ [auth P] Focus chain R [auth A] Focus chain RA [auth A] Focus chain RB [auth A] Focus chain RC [auth B] Focus chain RD [auth B] Focus chain RE [auth C] Focus chain RF [auth N] Focus chain RG [auth N] Focus chain RH [auth N] Focus chain RI [auth O] Focus chain RJ [auth P] Focus chain S [auth A] Focus chain SA [auth A] Focus chain SB [auth A] Focus chain SC [auth B] Focus chain SD [auth B] Focus chain SE [auth C] Focus chain SF [auth N] Focus chain SG [auth N] Focus chain SH [auth N] Focus chain SI [auth O] Focus chain SJ [auth P] Focus chain T [auth A] Focus chain TA [auth A] Focus chain TB [auth A] Focus chain TC [auth B] Focus chain TD [auth B] Focus chain TF [auth N] Focus chain TG [auth N] Focus chain TH [auth N] Focus chain TI [auth O] Focus chain TJ [auth P] Focus chain U [auth A] Focus chain UA [auth A] Focus chain UB [auth A] Focus chain UC [auth B] Focus chain UD [auth B] Focus chain UE [auth D] Focus chain UF [auth N] Focus chain UG [auth N] Focus chain UH [auth N] Focus chain UI [auth O] Focus chain UJ [auth P] Focus chain V [auth A] Focus chain VA [auth A] Focus chain VB [auth A] Focus chain VC [auth B] Focus chain VD [auth B] Focus chain VE [auth D] Focus chain VF [auth N] Focus chain VG [auth N] Focus chain VI [auth O] Focus chain VJ [auth Q] Focus chain W [auth A] Focus chain WA [auth A] Focus chain WB [auth A] Focus chain WC [auth B] Focus chain WD [auth B] Focus chain WE [auth D] Focus chain WF [auth N] Focus chain WG [auth N] Focus chain WI [auth O] Focus chain WJ [auth Q] Focus chain X [auth A] Focus chain XA [auth A] Focus chain XB [auth A] Focus chain XC [auth B] Focus chain XE [auth D] Focus chain XF [auth N] Focus chain XG [auth N] Focus chain XI [auth O] Focus chain XJ [auth Q] Focus chain Y [auth A] Focus chain YA [auth A] Focus chain YB [auth A] Focus chain YC [auth B] Focus chain YE [auth D] Focus chain YF [auth N] Focus chain YG [auth N] Focus chain YH [auth O] Focus chain YI [auth O] Focus chain YJ [auth Q] Focus chain Z [auth A] Focus chain ZA [auth A] Focus chain ZB [auth A] Focus chain ZC [auth B] Focus chain ZE [auth D] Focus chain ZF [auth N] Focus chain ZG [auth N] Focus chain ZH [auth O] Focus chain ZI [auth O] Focus chain ZJ [auth Q] Interactions & Density Focus chain AA [auth A] Focus chain AB [auth A] Focus chain AD [auth B] Focus chain AE [auth C] Focus chain AF [auth D] Focus chain AG [auth N] Focus chain AH [auth N] Focus chain AI [auth O] Focus chain AJ [auth O] Focus chain AK [auth Q] Focus chain BA [auth A] Focus chain BB [auth A] Focus chain BD [auth B] Focus chain BE [auth C] Focus chain BF [auth D] Focus chain BG [auth N] Focus chain BH [auth N] Focus chain BI [auth O] Focus chain BJ [auth O] Focus chain BK [auth Q] Focus chain CA [auth A] Focus chain CB [auth A] Focus chain CD [auth B] Focus chain CE [auth C] Focus chain CF [auth D] Focus chain CG [auth N] Focus chain CH [auth N] Focus chain CI [auth O] Focus chain CJ [auth O] Focus chain CK [auth Q] Focus chain DA [auth A] Focus chain DB [auth A] Focus chain DD [auth B] Focus chain DE [auth C] Focus chain DF [auth D] Focus chain DG [auth N] Focus chain DH [auth N] Focus chain DI [auth O] Focus chain DJ [auth O] Focus chain DK [auth Q] Focus chain EA [auth A] Focus chain EB [auth A] Focus chain ED [auth B] Focus chain EE [auth C] Focus chain EG [auth N] Focus chain EH [auth N] Focus chain EI [auth O] Focus chain EJ [auth O] Focus chain FA [auth A] Focus chain FB [auth A] Focus chain FD [auth B] Focus chain FE [auth C] Focus chain FG [auth N] Focus chain FH [auth N] Focus chain FI [auth O] Focus chain FJ [auth O] Focus chain GA [auth A] Focus chain GB [auth A] Focus chain GC [auth B] Focus chain GD [auth B] Focus chain GE [auth C] Focus chain GG [auth N] Focus chain GH [auth N] Focus chain GI [auth O] Focus chain GJ [auth O] Focus chain HA [auth A] Focus chain HB [auth A] Focus chain HC [auth B] Focus chain HD [auth B] Focus chain HE [auth C] Focus chain HG [auth N] Focus chain HH [auth N] Focus chain HI [auth O] Focus chain HJ [auth O] Focus chain IA [auth A] Focus chain IB [auth A] Focus chain IC [auth B] Focus chain ID [auth B] Focus chain IE [auth C] Focus chain IG [auth N] Focus chain IH [auth N] Focus chain II [auth O] Focus chain JA [auth A] Focus chain JB [auth A] Focus chain JC [auth B] Focus chain JD [auth B] Focus chain JE [auth C] Focus chain JF [auth N] Focus chain JG [auth N] Focus chain JH [auth N] Focus chain JI [auth O] Focus chain KA [auth A] Focus chain KB [auth A] Focus chain KC [auth B] Focus chain KD [auth B] Focus chain KE [auth C] Focus chain KF [auth N] Focus chain KG [auth N] Focus chain KH [auth N] Focus chain KI [auth O] Focus chain LA [auth A] Focus chain LB [auth A] Focus chain LC [auth B] Focus chain LD [auth B] Focus chain LE [auth C] Focus chain LF [auth N] Focus chain LG [auth N] Focus chain LH [auth N] Focus chain LI [auth O] Focus chain M [auth A] Focus chain MA [auth A] Focus chain MB [auth A] Focus chain MC [auth B] Focus chain MD [auth B] Focus chain ME [auth C] Focus chain MF [auth N] Focus chain MG [auth N] Focus chain MH [auth N] Focus chain MI [auth O] Focus chain MJ [auth P] Focus chain N [auth A] Focus chain NA [auth A] Focus chain NB [auth A] Focus chain NC [auth B] Focus chain ND [auth B] Focus chain NE [auth C] Focus chain NF [auth N] Focus chain NG [auth N] Focus chain NH [auth N] Focus chain NI [auth O] Focus chain NJ [auth P] Focus chain O [auth A] Focus chain OA [auth A] Focus chain OB [auth A] Focus chain OC [auth B] Focus chain OD [auth B] Focus chain OE [auth C] Focus chain OF [auth N] Focus chain OG [auth N] Focus chain OH [auth N] Focus chain OI [auth O] Focus chain OJ [auth P] Focus chain P [auth A] Focus chain PA [auth A] Focus chain PB [auth A] Focus chain PC [auth B] Focus chain PD [auth B] Focus chain PE [auth C] Focus chain PF [auth N] Focus chain PG [auth N] Focus chain PH [auth N] Focus chain PI [auth O] Focus chain PJ [auth P] Focus chain Q [auth A] Focus chain QA [auth A] Focus chain QB [auth A] Focus chain QC [auth B] Focus chain QD [auth B] Focus chain QE [auth C] Focus chain QF [auth N] Focus chain QG [auth N] Focus chain QH [auth N] Focus chain QI [auth O] Focus chain QJ [auth P] Focus chain R [auth A] Focus chain RA [auth A] Focus chain RB [auth A] Focus chain RC [auth B] Focus chain RD [auth B] Focus chain RE [auth C] Focus chain RF [auth N] Focus chain RG [auth N] Focus chain RH [auth N] Focus chain RI [auth O] Focus chain RJ [auth P] Focus chain S [auth A] Focus chain SA [auth A] Focus chain SB [auth A] Focus chain SC [auth B] Focus chain SD [auth B] Focus chain SE [auth C] Focus chain SF [auth N] Focus chain SG [auth N] Focus chain SH [auth N] Focus chain SI [auth O] Focus chain SJ [auth P] Focus chain T [auth A] Focus chain TA [auth A] Focus chain TB [auth A] Focus chain TC [auth B] Focus chain TD [auth B] Focus chain TF [auth N] Focus chain TG [auth N] Focus chain TH [auth N] Focus chain TI [auth O] Focus chain TJ [auth P] Focus chain U [auth A] Focus chain UA [auth A] Focus chain UB [auth A] Focus chain UC [auth B] Focus chain UD [auth B] Focus chain UE [auth D] Focus chain UF [auth N] Focus chain UG [auth N] Focus chain UH [auth N] Focus chain UI [auth O] Focus chain UJ [auth P] Focus chain V [auth A] Focus chain VA [auth A] Focus chain VB [auth A] Focus chain VC [auth B] Focus chain VD [auth B] Focus chain VE [auth D] Focus chain VF [auth N] Focus chain VG [auth N] Focus chain VI [auth O] Focus chain VJ [auth Q] Focus chain W [auth A] Focus chain WA [auth A] Focus chain WB [auth A] Focus chain WC [auth B] Focus chain WD [auth B] Focus chain WE [auth D] Focus chain WF [auth N] Focus chain WG [auth N] Focus chain WI [auth O] Focus chain WJ [auth Q] Focus chain X [auth A] Focus chain XA [auth A] Focus chain XB [auth A] Focus chain XC [auth B] Focus chain XE [auth D] Focus chain XF [auth N] Focus chain XG [auth N] Focus chain XI [auth O] Focus chain XJ [auth Q] Focus chain Y [auth A] Focus chain YA [auth A] Focus chain YB [auth A] Focus chain YC [auth B] Focus chain YE [auth D] Focus chain YF [auth N] Focus chain YG [auth N] Focus chain YH [auth O] Focus chain YI [auth O] Focus chain YJ [auth Q] Focus chain Z [auth A] Focus chain ZA [auth A] Focus chain ZB [auth A] Focus chain ZC [auth B] Focus chain ZE [auth D] Focus chain ZF [auth N] Focus chain ZG [auth N] Focus chain ZH [auth O] Focus chain ZI [auth O] Focus chain ZJ [auth Q]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.06 Å
R-Value Free: 0.215
R-Value Work: 0.171
R-Value Observed: 0.173
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 118.7	α = 90
b = 200.753	β = 90.06
c = 67.631	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
DENZO	data reduction
SCALEPACK	data scaling
AMoRE	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2005-12-20

Deposition Author(s):

Funding Organization	Location	Grant Number
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	United States	R01GM62563

Revision History (Full details and data files)

Version 1.0: 2005-12-20
Type: Initial release
Version 1.1: 2008-05-01
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance
Version 1.3: 2014-10-29
Changes: Non-polymer description
Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Derived calculations, Structure summary
Version 2.0: 2021-02-17
Type: Coordinate replacement
Reason: Ligand geometry
Changes: Advisory, Atomic model, Author supporting evidence, Data collection, Database references, Derived calculations, Non-polymer description, Other, Polymer sequence, Refinement description, Source and taxonomy, Structure summary
Version 2.1: 2023-08-30
Changes: Advisory, Data collection, Database references, Refinement description